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PubMed code 28065499

Compile data set for download or QSAR
Found 84 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50209858
PNG
(CHEMBL3884577)
Show SMILES Cc1ccc(cc1)-c1cn2nc(sc2n1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14N4O2S2/c1-11-2-4-12(5-3-11)15-10-21-17(19-15)24-16(20-21)13-6-8-14(9-7-13)25(18,22)23/h2-10H,1H3,(H2,18,22,23)
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3.30n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50209889
PNG
(CHEMBL3884342)
Show SMILES COc1ccc(cc1)-c1cn2nc(sc2n1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14N4O3S2/c1-24-13-6-2-11(3-7-13)15-10-21-17(19-15)25-16(20-21)12-4-8-14(9-5-12)26(18,22)23/h2-10H,1H3,(H2,18,22,23)
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3.80n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50210047
PNG
(CHEMBL3885288)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1ccccc1
Show InChI InChI=1S/C16H12N4O2S2/c17-24(21,22)13-8-6-12(7-9-13)15-19-20-10-14(18-16(20)23-15)11-4-2-1-3-5-11/h1-10H,(H2,17,21,22)
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4.10n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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5.70n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50210047
PNG
(CHEMBL3885288)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1ccccc1
Show InChI InChI=1S/C16H12N4O2S2/c17-24(21,22)13-8-6-12(7-9-13)15-19-20-10-14(18-16(20)23-15)11-4-2-1-3-5-11/h1-10H,(H2,17,21,22)
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7.30n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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12n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50209867
PNG
(CHEMBL3884591)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3cccc(c3)[N+]([O-])=O)n2n1
Show InChI InChI=1S/C16H11N5O4S2/c17-27(24,25)13-6-4-10(5-7-13)15-18-16-20(19-15)14(9-26-16)11-2-1-3-12(8-11)21(22)23/h1-9H,(H2,17,24,25)
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13n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50209860
PNG
(CHEMBL3884722)
Show SMILES COc1ccc(cc1)-c1csc2nc(nn12)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14N4O3S2/c1-24-13-6-2-11(3-7-13)15-10-25-17-19-16(20-21(15)17)12-4-8-14(9-5-12)26(18,22)23/h2-10H,1H3,(H2,18,22,23)
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15n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50209862
PNG
(CHEMBL3885490)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccccc3)n2n1
Show InChI InChI=1S/C16H12N4O2S2/c17-24(21,22)13-8-6-12(7-9-13)15-18-16-20(19-15)14(10-23-16)11-4-2-1-3-5-11/h1-10H,(H2,17,21,22)
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18n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50209862
PNG
(CHEMBL3885490)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccccc3)n2n1
Show InChI InChI=1S/C16H12N4O2S2/c17-24(21,22)13-8-6-12(7-9-13)15-18-16-20(19-15)14(10-23-16)11-4-2-1-3-5-11/h1-10H,(H2,17,21,22)
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18n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50209869
PNG
(CHEMBL3884021)
Show SMILES Cc1ccc(cc1)-c1csc2nc(nn12)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14N4O2S2/c1-11-2-4-12(5-3-11)15-10-24-17-19-16(20-21(15)17)13-6-8-14(9-7-13)25(18,22)23/h2-10H,1H3,(H2,18,22,23)
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20n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50209860
PNG
(CHEMBL3884722)
Show SMILES COc1ccc(cc1)-c1csc2nc(nn12)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14N4O3S2/c1-24-13-6-2-11(3-7-13)15-10-25-17-19-16(20-21(15)17)12-4-8-14(9-5-12)26(18,22)23/h2-10H,1H3,(H2,18,22,23)
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22n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50209866
PNG
(CHEMBL3883222)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(cc3)-c3ccccc3)n2n1
Show InChI InChI=1S/C22H16N4O2S2/c23-30(27,28)19-12-10-18(11-13-19)21-24-22-26(25-21)20(14-29-22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H2,23,27,28)
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22n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50209869
PNG
(CHEMBL3884021)
Show SMILES Cc1ccc(cc1)-c1csc2nc(nn12)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14N4O2S2/c1-11-2-4-12(5-3-11)15-10-24-17-19-16(20-21(15)17)13-6-8-14(9-7-13)25(18,22)23/h2-10H,1H3,(H2,18,22,23)
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24n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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25n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50209863
PNG
(CHEMBL3885020)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(Cl)cc3)n2n1
Show InChI InChI=1S/C16H11ClN4O2S2/c17-12-5-1-10(2-6-12)14-9-24-16-19-15(20-21(14)16)11-3-7-13(8-4-11)25(18,22)23/h1-9H,(H2,18,22,23)
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27n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50209890
PNG
(CHEMBL3884122)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(cc3)[N+]([O-])=O)n2n1
Show InChI InChI=1S/C16H11N5O4S2/c17-27(24,25)13-7-3-11(4-8-13)15-18-16-20(19-15)14(9-26-16)10-1-5-12(6-2-10)21(22)23/h1-9H,(H2,17,24,25)
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35n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50209864
PNG
(CHEMBL3884878)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H16N4O2S2/c23-30(27,28)19-12-10-18(11-13-19)21-25-26-14-20(24-22(26)29-21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H2,23,27,28)
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36n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50209872
PNG
(CHEMBL3883931)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3cccc(Br)c3)n2n1
Show InChI InChI=1S/C16H11BrN4O2S2/c17-12-3-1-2-11(8-12)14-9-24-16-19-15(20-21(14)16)10-4-6-13(7-5-10)25(18,22)23/h1-9H,(H2,18,22,23)
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41n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50209874
PNG
(CHEMBL3884754)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H11N5O4S2/c17-27(24,25)13-7-3-11(4-8-13)15-19-20-9-14(18-16(20)26-15)10-1-5-12(6-2-10)21(22)23/h1-9H,(H2,17,24,25)
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48n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50209870
PNG
(CHEMBL3884236)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H11N5O4S2/c17-27(24,25)13-6-4-10(5-7-13)15-19-20-9-14(18-16(20)26-15)11-2-1-3-12(8-11)21(22)23/h1-9H,(H2,17,24,25)
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50n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50209861
PNG
(CHEMBL3884557)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1ccc(F)cc1
Show InChI InChI=1S/C16H11FN4O2S2/c17-12-5-1-10(2-6-12)14-9-21-16(19-14)24-15(20-21)11-3-7-13(8-4-11)25(18,22)23/h1-9H,(H2,18,22,23)
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56n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50209864
PNG
(CHEMBL3884878)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H16N4O2S2/c23-30(27,28)19-12-10-18(11-13-19)21-25-26-14-20(24-22(26)29-21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H2,23,27,28)
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62n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50209867
PNG
(CHEMBL3884591)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3cccc(c3)[N+]([O-])=O)n2n1
Show InChI InChI=1S/C16H11N5O4S2/c17-27(24,25)13-6-4-10(5-7-13)15-18-16-20(19-15)14(9-26-16)11-2-1-3-12(8-11)21(22)23/h1-9H,(H2,17,24,25)
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64n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50209868
PNG
(CHEMBL3884638)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1cccc(Br)c1
Show InChI InChI=1S/C16H11BrN4O2S2/c17-12-3-1-2-11(8-12)14-9-21-16(19-14)24-15(20-21)10-4-6-13(7-5-10)25(18,22)23/h1-9H,(H2,18,22,23)
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68n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50209868
PNG
(CHEMBL3884638)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1cccc(Br)c1
Show InChI InChI=1S/C16H11BrN4O2S2/c17-12-3-1-2-11(8-12)14-9-21-16(19-14)24-15(20-21)10-4-6-13(7-5-10)25(18,22)23/h1-9H,(H2,18,22,23)
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76n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50209861
PNG
(CHEMBL3884557)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1ccc(F)cc1
Show InChI InChI=1S/C16H11FN4O2S2/c17-12-5-1-10(2-6-12)14-9-21-16(19-14)24-15(20-21)11-3-7-13(8-4-11)25(18,22)23/h1-9H,(H2,18,22,23)
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79n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50209869
PNG
(CHEMBL3884021)
Show SMILES Cc1ccc(cc1)-c1csc2nc(nn12)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14N4O2S2/c1-11-2-4-12(5-3-11)15-10-24-17-19-16(20-21(15)17)13-6-8-14(9-7-13)25(18,22)23/h2-10H,1H3,(H2,18,22,23)
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80n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50209859
PNG
(CHEMBL3884101)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11ClN4O2S2/c17-12-5-1-10(2-6-12)14-9-21-16(19-14)24-15(20-21)11-3-7-13(8-4-11)25(18,22)23/h1-9H,(H2,18,22,23)
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80n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50209860
PNG
(CHEMBL3884722)
Show SMILES COc1ccc(cc1)-c1csc2nc(nn12)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14N4O3S2/c1-24-13-6-2-11(3-7-13)15-10-25-17-19-16(20-21(15)17)12-4-8-14(9-5-12)26(18,22)23/h2-10H,1H3,(H2,18,22,23)
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83n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50209869
PNG
(CHEMBL3884021)
Show SMILES Cc1ccc(cc1)-c1csc2nc(nn12)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14N4O2S2/c1-11-2-4-12(5-3-11)15-10-24-17-19-16(20-21(15)17)13-6-8-14(9-7-13)25(18,22)23/h2-10H,1H3,(H2,18,22,23)
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85n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50209873
PNG
(CHEMBL3885336)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H11BrN4O2S2/c17-12-5-1-10(2-6-12)14-9-21-16(19-14)24-15(20-21)11-3-7-13(8-4-11)25(18,22)23/h1-9H,(H2,18,22,23)
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85n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50209866
PNG
(CHEMBL3883222)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(cc3)-c3ccccc3)n2n1
Show InChI InChI=1S/C22H16N4O2S2/c23-30(27,28)19-12-10-18(11-13-19)21-24-22-26(25-21)20(14-29-22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H2,23,27,28)
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98n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50209866
PNG
(CHEMBL3883222)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(cc3)-c3ccccc3)n2n1
Show InChI InChI=1S/C22H16N4O2S2/c23-30(27,28)19-12-10-18(11-13-19)21-24-22-26(25-21)20(14-29-22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H2,23,27,28)
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133n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50209861
PNG
(CHEMBL3884557)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1ccc(F)cc1
Show InChI InChI=1S/C16H11FN4O2S2/c17-12-5-1-10(2-6-12)14-9-21-16(19-14)24-15(20-21)11-3-7-13(8-4-11)25(18,22)23/h1-9H,(H2,18,22,23)
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136n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50209864
PNG
(CHEMBL3884878)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H16N4O2S2/c23-30(27,28)19-12-10-18(11-13-19)21-25-26-14-20(24-22(26)29-21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H2,23,27,28)
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143n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50209862
PNG
(CHEMBL3885490)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccccc3)n2n1
Show InChI InChI=1S/C16H12N4O2S2/c17-24(21,22)13-8-6-12(7-9-13)15-18-16-20(19-15)14(10-23-16)11-4-2-1-3-5-11/h1-10H,(H2,17,21,22)
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147n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50209860
PNG
(CHEMBL3884722)
Show SMILES COc1ccc(cc1)-c1csc2nc(nn12)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14N4O3S2/c1-24-13-6-2-11(3-7-13)15-10-25-17-19-16(20-21(15)17)12-4-8-14(9-5-12)26(18,22)23/h2-10H,1H3,(H2,18,22,23)
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147n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50209865
PNG
(CHEMBL3885122)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(Br)cc3)n2n1
Show InChI InChI=1S/C16H11BrN4O2S2/c17-12-5-1-10(2-6-12)14-9-24-16-19-15(20-21(14)16)11-3-7-13(8-4-11)25(18,22)23/h1-9H,(H2,18,22,23)
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172n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50209870
PNG
(CHEMBL3884236)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H11N5O4S2/c17-27(24,25)13-6-4-10(5-7-13)15-19-20-9-14(18-16(20)26-15)11-2-1-3-12(8-11)21(22)23/h1-9H,(H2,17,24,25)
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172n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50209890
PNG
(CHEMBL3884122)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(cc3)[N+]([O-])=O)n2n1
Show InChI InChI=1S/C16H11N5O4S2/c17-27(24,25)13-7-3-11(4-8-13)15-18-16-20(19-15)14(9-26-16)10-1-5-12(6-2-10)21(22)23/h1-9H,(H2,17,24,25)
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189n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50209867
PNG
(CHEMBL3884591)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3cccc(c3)[N+]([O-])=O)n2n1
Show InChI InChI=1S/C16H11N5O4S2/c17-27(24,25)13-6-4-10(5-7-13)15-18-16-20(19-15)14(9-26-16)11-2-1-3-12(8-11)21(22)23/h1-9H,(H2,17,24,25)
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203n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50210047
PNG
(CHEMBL3885288)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1ccccc1
Show InChI InChI=1S/C16H12N4O2S2/c17-24(21,22)13-8-6-12(7-9-13)15-19-20-10-14(18-16(20)23-15)11-4-2-1-3-5-11/h1-10H,(H2,17,21,22)
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208n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50209861
PNG
(CHEMBL3884557)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1ccc(F)cc1
Show InChI InChI=1S/C16H11FN4O2S2/c17-12-5-1-10(2-6-12)14-9-21-16(19-14)24-15(20-21)11-3-7-13(8-4-11)25(18,22)23/h1-9H,(H2,18,22,23)
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218n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50209871
PNG
(CHEMBL3884257)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(F)cc3)n2n1
Show InChI InChI=1S/C16H11FN4O2S2/c17-12-5-1-10(2-6-12)14-9-24-16-19-15(20-21(14)16)11-3-7-13(8-4-11)25(18,22)23/h1-9H,(H2,18,22,23)
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237n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50209858
PNG
(CHEMBL3884577)
Show SMILES Cc1ccc(cc1)-c1cn2nc(sc2n1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14N4O2S2/c1-11-2-4-12(5-3-11)15-10-21-17(19-15)24-16(20-21)13-6-8-14(9-7-13)25(18,22)23/h2-10H,1H3,(H2,18,22,23)
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240n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50209858
PNG
(CHEMBL3884577)
Show SMILES Cc1ccc(cc1)-c1cn2nc(sc2n1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14N4O2S2/c1-11-2-4-12(5-3-11)15-10-21-17(19-15)24-16(20-21)13-6-8-14(9-7-13)25(18,22)23/h2-10H,1H3,(H2,18,22,23)
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243n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50209859
PNG
(CHEMBL3884101)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11ClN4O2S2/c17-12-5-1-10(2-6-12)14-9-21-16(19-14)24-15(20-21)11-3-7-13(8-4-11)25(18,22)23/h1-9H,(H2,18,22,23)
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244n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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250n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50209868
PNG
(CHEMBL3884638)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1cccc(Br)c1
Show InChI InChI=1S/C16H11BrN4O2S2/c17-12-3-1-2-11(8-12)14-9-21-16(19-14)24-15(20-21)10-4-6-13(7-5-10)25(18,22)23/h1-9H,(H2,18,22,23)
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251n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50209862
PNG
(CHEMBL3885490)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccccc3)n2n1
Show InChI InChI=1S/C16H12N4O2S2/c17-24(21,22)13-8-6-12(7-9-13)15-18-16-20(19-15)14(10-23-16)11-4-2-1-3-5-11/h1-10H,(H2,17,21,22)
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262n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50209870
PNG
(CHEMBL3884236)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H11N5O4S2/c17-27(24,25)13-6-4-10(5-7-13)15-19-20-9-14(18-16(20)26-15)11-2-1-3-12(8-11)21(22)23/h1-9H,(H2,17,24,25)
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274n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50209858
PNG
(CHEMBL3884577)
Show SMILES Cc1ccc(cc1)-c1cn2nc(sc2n1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14N4O2S2/c1-11-2-4-12(5-3-11)15-10-21-17(19-15)24-16(20-21)13-6-8-14(9-7-13)25(18,22)23/h2-10H,1H3,(H2,18,22,23)
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275n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50209868
PNG
(CHEMBL3884638)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1cccc(Br)c1
Show InChI InChI=1S/C16H11BrN4O2S2/c17-12-3-1-2-11(8-12)14-9-21-16(19-14)24-15(20-21)10-4-6-13(7-5-10)25(18,22)23/h1-9H,(H2,18,22,23)
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276n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50209874
PNG
(CHEMBL3884754)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H11N5O4S2/c17-27(24,25)13-7-3-11(4-8-13)15-19-20-9-14(18-16(20)26-15)10-1-5-12(6-2-10)21(22)23/h1-9H,(H2,17,24,25)
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287n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50209866
PNG
(CHEMBL3883222)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(cc3)-c3ccccc3)n2n1
Show InChI InChI=1S/C22H16N4O2S2/c23-30(27,28)19-12-10-18(11-13-19)21-24-22-26(25-21)20(14-29-22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H2,23,27,28)
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297n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50209871
PNG
(CHEMBL3884257)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(F)cc3)n2n1
Show InChI InChI=1S/C16H11FN4O2S2/c17-12-5-1-10(2-6-12)14-9-24-16-19-15(20-21(14)16)11-3-7-13(8-4-11)25(18,22)23/h1-9H,(H2,18,22,23)
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301n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50209865
PNG
(CHEMBL3885122)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(Br)cc3)n2n1
Show InChI InChI=1S/C16H11BrN4O2S2/c17-12-5-1-10(2-6-12)14-9-24-16-19-15(20-21(14)16)11-3-7-13(8-4-11)25(18,22)23/h1-9H,(H2,18,22,23)
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302n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50209874
PNG
(CHEMBL3884754)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H11N5O4S2/c17-27(24,25)13-7-3-11(4-8-13)15-19-20-9-14(18-16(20)26-15)10-1-5-12(6-2-10)21(22)23/h1-9H,(H2,17,24,25)
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306n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50210047
PNG
(CHEMBL3885288)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1ccccc1
Show InChI InChI=1S/C16H12N4O2S2/c17-24(21,22)13-8-6-12(7-9-13)15-19-20-10-14(18-16(20)23-15)11-4-2-1-3-5-11/h1-10H,(H2,17,21,22)
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318n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50209871
PNG
(CHEMBL3884257)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(F)cc3)n2n1
Show InChI InChI=1S/C16H11FN4O2S2/c17-12-5-1-10(2-6-12)14-9-24-16-19-15(20-21(14)16)11-3-7-13(8-4-11)25(18,22)23/h1-9H,(H2,18,22,23)
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359n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50209867
PNG
(CHEMBL3884591)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3cccc(c3)[N+]([O-])=O)n2n1
Show InChI InChI=1S/C16H11N5O4S2/c17-27(24,25)13-6-4-10(5-7-13)15-18-16-20(19-15)14(9-26-16)11-2-1-3-12(8-11)21(22)23/h1-9H,(H2,17,24,25)
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362n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50209864
PNG
(CHEMBL3884878)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H16N4O2S2/c23-30(27,28)19-12-10-18(11-13-19)21-25-26-14-20(24-22(26)29-21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H2,23,27,28)
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368n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50209874
PNG
(CHEMBL3884754)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H11N5O4S2/c17-27(24,25)13-7-3-11(4-8-13)15-19-20-9-14(18-16(20)26-15)10-1-5-12(6-2-10)21(22)23/h1-9H,(H2,17,24,25)
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369n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50209859
PNG
(CHEMBL3884101)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11ClN4O2S2/c17-12-5-1-10(2-6-12)14-9-21-16(19-14)24-15(20-21)11-3-7-13(8-4-11)25(18,22)23/h1-9H,(H2,18,22,23)
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500n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50209870
PNG
(CHEMBL3884236)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H11N5O4S2/c17-27(24,25)13-6-4-10(5-7-13)15-19-20-9-14(18-16(20)26-15)11-2-1-3-12(8-11)21(22)23/h1-9H,(H2,17,24,25)
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510n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50209863
PNG
(CHEMBL3885020)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(Cl)cc3)n2n1
Show InChI InChI=1S/C16H11ClN4O2S2/c17-12-5-1-10(2-6-12)14-9-24-16-19-15(20-21(14)16)11-3-7-13(8-4-11)25(18,22)23/h1-9H,(H2,18,22,23)
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529n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50209873
PNG
(CHEMBL3885336)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H11BrN4O2S2/c17-12-5-1-10(2-6-12)14-9-21-16(19-14)24-15(20-21)11-3-7-13(8-4-11)25(18,22)23/h1-9H,(H2,18,22,23)
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624n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50209871
PNG
(CHEMBL3884257)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(F)cc3)n2n1
Show InChI InChI=1S/C16H11FN4O2S2/c17-12-5-1-10(2-6-12)14-9-24-16-19-15(20-21(14)16)11-3-7-13(8-4-11)25(18,22)23/h1-9H,(H2,18,22,23)
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662n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50209873
PNG
(CHEMBL3885336)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H11BrN4O2S2/c17-12-5-1-10(2-6-12)14-9-21-16(19-14)24-15(20-21)11-3-7-13(8-4-11)25(18,22)23/h1-9H,(H2,18,22,23)
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681n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50209889
PNG
(CHEMBL3884342)
Show SMILES COc1ccc(cc1)-c1cn2nc(sc2n1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14N4O3S2/c1-24-13-6-2-11(3-7-13)15-10-21-17(19-15)25-16(20-21)12-4-8-14(9-5-12)26(18,22)23/h2-10H,1H3,(H2,18,22,23)
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830n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50209889
PNG
(CHEMBL3884342)
Show SMILES COc1ccc(cc1)-c1cn2nc(sc2n1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14N4O3S2/c1-24-13-6-2-11(3-7-13)15-10-21-17(19-15)25-16(20-21)12-4-8-14(9-5-12)26(18,22)23/h2-10H,1H3,(H2,18,22,23)
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849n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50209873
PNG
(CHEMBL3885336)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H11BrN4O2S2/c17-12-5-1-10(2-6-12)14-9-21-16(19-14)24-15(20-21)11-3-7-13(8-4-11)25(18,22)23/h1-9H,(H2,18,22,23)
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918n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50209863
PNG
(CHEMBL3885020)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(Cl)cc3)n2n1
Show InChI InChI=1S/C16H11ClN4O2S2/c17-12-5-1-10(2-6-12)14-9-24-16-19-15(20-21(14)16)11-3-7-13(8-4-11)25(18,22)23/h1-9H,(H2,18,22,23)
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943n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50209872
PNG
(CHEMBL3883931)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3cccc(Br)c3)n2n1
Show InChI InChI=1S/C16H11BrN4O2S2/c17-12-3-1-2-11(8-12)14-9-24-16-19-15(20-21(14)16)10-4-6-13(7-5-10)25(18,22)23/h1-9H,(H2,18,22,23)
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1.09E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50209859
PNG
(CHEMBL3884101)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11ClN4O2S2/c17-12-5-1-10(2-6-12)14-9-21-16(19-14)24-15(20-21)11-3-7-13(8-4-11)25(18,22)23/h1-9H,(H2,18,22,23)
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1.21E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50209863
PNG
(CHEMBL3885020)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(Cl)cc3)n2n1
Show InChI InChI=1S/C16H11ClN4O2S2/c17-12-5-1-10(2-6-12)14-9-24-16-19-15(20-21(14)16)11-3-7-13(8-4-11)25(18,22)23/h1-9H,(H2,18,22,23)
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1.68E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50209872
PNG
(CHEMBL3883931)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3cccc(Br)c3)n2n1
Show InChI InChI=1S/C16H11BrN4O2S2/c17-12-3-1-2-11(8-12)14-9-24-16-19-15(20-21(14)16)10-4-6-13(7-5-10)25(18,22)23/h1-9H,(H2,18,22,23)
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2.57E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50209889
PNG
(CHEMBL3884342)
Show SMILES COc1ccc(cc1)-c1cn2nc(sc2n1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14N4O3S2/c1-24-13-6-2-11(3-7-13)15-10-21-17(19-15)25-16(20-21)12-4-8-14(9-5-12)26(18,22)23/h2-10H,1H3,(H2,18,22,23)
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2.83E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane bound carbonic anhydrase 9 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50209890
PNG
(CHEMBL3884122)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(cc3)[N+]([O-])=O)n2n1
Show InChI InChI=1S/C16H11N5O4S2/c17-27(24,25)13-7-3-11(4-8-13)15-18-16-20(19-15)14(9-26-16)10-1-5-12(6-2-10)21(22)23/h1-9H,(H2,17,24,25)
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3.87E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50209865
PNG
(CHEMBL3885122)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(Br)cc3)n2n1
Show InChI InChI=1S/C16H11BrN4O2S2/c17-12-5-1-10(2-6-12)14-9-24-16-19-15(20-21(14)16)11-3-7-13(8-4-11)25(18,22)23/h1-9H,(H2,18,22,23)
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6.35E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50209890
PNG
(CHEMBL3884122)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(cc3)[N+]([O-])=O)n2n1
Show InChI InChI=1S/C16H11N5O4S2/c17-27(24,25)13-7-3-11(4-8-13)15-18-16-20(19-15)14(9-26-16)10-1-5-12(6-2-10)21(22)23/h1-9H,(H2,17,24,25)
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9.33E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50209872
PNG
(CHEMBL3883931)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3cccc(Br)c3)n2n1
Show InChI InChI=1S/C16H11BrN4O2S2/c17-12-3-1-2-11(8-12)14-9-24-16-19-15(20-21(14)16)10-4-6-13(7-5-10)25(18,22)23/h1-9H,(H2,18,22,23)
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9.51E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50209865
PNG
(CHEMBL3885122)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(Br)cc3)n2n1
Show InChI InChI=1S/C16H11BrN4O2S2/c17-12-5-1-10(2-6-12)14-9-24-16-19-15(20-21(14)16)11-3-7-13(8-4-11)25(18,22)23/h1-9H,(H2,18,22,23)
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PubMed
9.70E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 1286-1293 (2017)


Article DOI: 10.1016/j.bmc.2016.12.047
BindingDB Entry DOI: 10.7270/Q2222WSR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%